4-methyl-2-octan-2-yloxycyclohexan-1-amine

C15H31NO — CID 43127455

IUPAC4-methyl-2-octan-2-yloxycyclohexan-1-amine
SMILESCCCCCCC(C)OC1CC(C)CCC1N
InChIInChI=1S/C15H31NO/c1-4-5-6-7-8-13(3)17-15-11-12(2)9-10-14(15)16/h12-15H,4-11,16H2,1-3H3
InChIKeyOCJUEHSKKLPAPX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.88
Rot. Bonds7

About 4-methyl-2-octan-2-yloxycyclohexan-1-amine

4-methyl-2-octan-2-yloxycyclohexan-1-amine (PubChem CID 43127455) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-methyl-2-octan-2-yloxycyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-octan-2-yloxycyclohexan-1-amine
PubChem CID43127455
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-methyl-2-octan-2-yloxycyclohexan-1-amine
SMILESCCCCCCC(C)OC1CC(C)CCC1N
InChIInChI=1S/C15H31NO/c1-4-5-6-7-8-13(3)17-15-11-12(2)9-10-14(15)16/h12-15H,4-11,16H2,1-3H3
InChIKeyOCJUEHSKKLPAPX-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-octan-2-yloxycyclohexan-1-amine?
The IUPAC name of 4-methyl-2-octan-2-yloxycyclohexan-1-amine (CID 43127455) is 4-methyl-2-octan-2-yloxycyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-octan-2-yloxycyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-octan-2-yloxycyclohexan-1-amine is CCCCCCC(C)OC1CC(C)CCC1N.
What is the InChIKey of 4-methyl-2-octan-2-yloxycyclohexan-1-amine?
The InChIKey is OCJUEHSKKLPAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-5-6-7-8-13(3)17-15-11-12(2)9-10-14(15)16/h12-15H,4-11,16H2,1-3H3.
What are the key properties of 4-methyl-2-octan-2-yloxycyclohexan-1-amine?
4-methyl-2-octan-2-yloxycyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-octan-2-yloxycyclohexan-1-amine is sourced from PubChem (CID 43127455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).